5-tri(propan-2-yl)silyloxypent-3-yn-2-one

C14H26O2Si — CID 71446232

IUPAC5-tri(propan-2-yl)silyloxypent-3-yn-2-one
SMILESCC(=O)C#CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h11-13H,10H2,1-7H3
InChIKeyIDJLIRMABMLVRU-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds5

About 5-tri(propan-2-yl)silyloxypent-3-yn-2-one

5-tri(propan-2-yl)silyloxypent-3-yn-2-one (PubChem CID 71446232) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxypent-3-yn-2-one.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxypent-3-yn-2-one
PubChem CID71446232
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name5-tri(propan-2-yl)silyloxypent-3-yn-2-one
SMILESCC(=O)C#CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h11-13H,10H2,1-7H3
InChIKeyIDJLIRMABMLVRU-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tri(propan-2-yl)silyloxypent-3-yn-2-one?
The IUPAC name of 5-tri(propan-2-yl)silyloxypent-3-yn-2-one (CID 71446232) is 5-tri(propan-2-yl)silyloxypent-3-yn-2-one.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxypent-3-yn-2-one?
The canonical SMILES for 5-tri(propan-2-yl)silyloxypent-3-yn-2-one is CC(=O)C#CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxypent-3-yn-2-one?
The InChIKey is IDJLIRMABMLVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-8-9-14(7)15/h11-13H,10H2,1-7H3.
What are the key properties of 5-tri(propan-2-yl)silyloxypent-3-yn-2-one?
5-tri(propan-2-yl)silyloxypent-3-yn-2-one has a molecular weight of 254.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxypent-3-yn-2-one is sourced from PubChem (CID 71446232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).